8-[4-(4-Fluorophenyl)-4-Oxobutyl]-3-[2-(4-Nitrophenyl)Ethyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One
[CAS# 136247-18-2]

Identification

• Name: 8-[4-(4-Fluorophenyl)-4-Oxobutyl]-3-[2-(4-Nitrophenyl)Ethyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One
• Synonyms: N-(p-Nitrophenethyl)spiperone
• Molecular Formula: C₃₁H₃₃FN₄O₄
• Molecular Weight: 544.62
• CAS Registry Number: 136247-18-2
• SMILES: c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F)CCc5ccc(cc5)[N+](=O)[O-]
• InChI: 1S/C31H33FN4O4/c32-26-12-10-25(11-13-26)29(37)7-4-19-33-21-17-31(18-22-33)30(38)34(23-35(31)27-5-2-1-3-6-27)20-16-24-8-14-28(15-9-24)36(39)40/h1-3,5-6,8-15H,4,7,16-23H2
• InChIKey: VAROERVHUKRDNF-UHFFFAOYSA-N

Properties

• Density: 1.324g/cm³ (Cal.)
• Boiling point: 743.306°C at 760 mmHg (Cal.)
• Flash point: 403.337°C (Cal.)
• Refractive index: 1.651 (Cal.)